==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 11-FEB-03 1NXM . COMPND 2 MOLECULE: DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SUIS; . AUTHOR C.DONG,L.L.MAJOR,A.ALLEN,W.BLANKENFELDT,D.MASKELL, . 388 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 33.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 32 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 4 6 2 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A N 0 0 185 0, 0.0 112,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 50.5 -9.1 2.6 -2.5 2 5 A F + 0 0 42 1,-0.3 3,-0.4 23,-0.1 23,-0.3 0.588 360.0 60.2-135.5 -52.7 -7.9 1.6 0.9 3 6 A F S S+ 0 0 84 1,-0.2 -1,-0.3 21,-0.1 23,-0.2 -0.553 99.9 14.4 -90.5 148.0 -8.9 -2.0 1.8 4 7 A G S S+ 0 0 50 21,-2.7 -1,-0.2 -2,-0.2 22,-0.1 0.616 74.4 160.6 78.5 13.2 -8.1 -5.3 0.1 5 8 A K - 0 0 31 -3,-0.4 2,-0.4 18,-0.4 -1,-0.2 -0.302 43.0-113.3 -65.7 152.3 -5.3 -4.2 -2.3 6 9 A T - 0 0 115 17,-0.1 2,-0.2 18,-0.1 16,-0.2 -0.710 38.8-102.8 -79.0 135.7 -3.0 -6.8 -3.8 7 10 A L + 0 0 45 -2,-0.4 2,-0.3 14,-0.1 16,-0.2 -0.468 64.4 147.9 -59.7 124.3 0.6 -6.4 -2.6 8 11 A A E -A 22 0A 28 14,-1.4 14,-2.1 -2,-0.2 2,-0.4 -0.981 36.8-141.1-158.8 159.4 2.5 -4.7 -5.4 9 12 A A E -A 21 0A 27 -2,-0.3 12,-0.2 12,-0.2 10,-0.0 -0.983 9.8-172.2-131.5 142.4 5.3 -2.3 -6.2 10 13 A R E -A 20 0A 98 10,-2.5 10,-2.9 -2,-0.4 2,-0.1 -0.998 23.7-127.7-129.2 128.8 5.7 0.4 -8.8 11 14 A P E -A 19 0A 96 0, 0.0 2,-0.8 0, 0.0 8,-0.2 -0.393 19.2-126.3 -64.5 152.0 8.9 2.3 -9.5 12 15 A V > - 0 0 11 6,-2.0 3,-1.3 3,-0.4 6,-0.4 -0.907 20.3-156.8 -99.8 107.4 8.7 6.1 -9.5 13 16 A E T 3 S+ 0 0 194 -2,-0.8 -1,-0.1 1,-0.3 4,-0.0 0.801 86.7 55.4 -62.8 -29.7 10.2 6.9 -12.9 14 17 A A T 3 S+ 0 0 39 1,-0.2 -1,-0.3 91,-0.1 90,-0.1 0.711 111.6 44.9 -74.5 -19.7 11.3 10.4 -12.0 15 18 A I S X S- 0 0 0 -3,-1.3 3,-2.2 3,-0.1 -3,-0.4 -0.834 87.8-136.5-131.5 91.2 13.4 9.2 -9.0 16 19 A P T 3 S+ 0 0 64 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.150 88.5 19.9 -50.6 134.5 15.5 6.2 -9.7 17 20 A G T 3 S+ 0 0 50 1,-0.3 2,-0.3 101,-0.1 -4,-0.1 0.139 92.0 124.9 92.3 -19.9 15.4 3.6 -6.9 18 21 A M < - 0 0 2 -3,-2.2 -6,-2.0 -6,-0.4 2,-0.4 -0.557 39.1-171.2 -74.3 133.3 12.2 4.9 -5.4 19 22 A L E -AB 11 117A 20 98,-1.6 98,-2.8 -2,-0.3 2,-0.5 -0.992 13.9-154.6-128.1 137.1 9.4 2.3 -5.1 20 23 A E E -AB 10 116A 13 -10,-2.9 -10,-2.5 -2,-0.4 2,-0.4 -0.944 17.6-159.0-106.6 129.5 5.7 2.8 -4.1 21 24 A F E -AB 9 115A 0 94,-3.5 94,-2.0 -2,-0.5 2,-0.5 -0.911 15.1-144.2-110.4 135.7 4.0 -0.2 -2.6 22 25 A D E -AB 8 114A 28 -14,-2.1 -14,-1.4 -2,-0.4 92,-0.2 -0.854 25.0-157.2 -85.3 129.1 0.3 -1.1 -2.3 23 26 A I - 0 0 0 90,-2.3 -18,-0.4 -2,-0.5 2,-0.3 -0.939 17.5-119.1-112.3 127.9 -0.2 -2.8 1.1 24 27 A P - 0 0 28 0, 0.0 11,-0.6 0, 0.0 2,-0.4 -0.517 31.4-174.2 -66.3 123.2 -3.1 -5.2 1.8 25 28 A V E -H 34 0B 0 -2,-0.3 -21,-2.7 -23,-0.3 2,-0.5 -0.993 7.0-158.4-121.4 125.3 -5.2 -3.8 4.6 26 29 A H E +H 33 0B 112 7,-2.6 7,-1.8 -2,-0.4 2,-0.3 -0.936 50.5 31.7-115.1 123.1 -8.0 -6.0 5.8 27 30 A G E S-H 32 0B 45 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.996 74.1 -97.1 141.5-143.7 -11.1 -4.7 7.7 28 31 A D E > -H 31 0B 50 3,-2.1 3,-1.7 -2,-0.3 -2,-0.0 -0.810 57.9 -53.8-156.3-165.5 -13.0 -1.5 7.7 29 32 A N T 3 S+ 0 0 127 1,-0.3 3,-0.1 -2,-0.2 57,-0.0 0.726 127.9 59.6 -55.7 -26.6 -13.4 1.8 9.5 30 33 A R T 3 S- 0 0 123 1,-0.3 230,-0.4 230,-0.0 -1,-0.3 0.665 124.8 -40.0 -78.4 -18.3 -13.8 -0.1 12.8 31 34 A G E < -H 28 0B 20 -3,-1.7 -3,-2.1 228,-0.2 -1,-0.3 -0.766 58.3-173.8 160.3 152.4 -10.5 -1.8 12.7 32 35 A W E -HI 27 258B 17 226,-2.2 226,-2.7 -5,-0.2 2,-0.3 -0.948 14.0-135.3-158.9 173.4 -8.0 -3.6 10.4 33 36 A F E +HI 26 257B 65 -7,-1.8 -7,-2.6 -2,-0.3 2,-0.3 -0.949 19.7 174.7-134.3 150.0 -4.8 -5.5 10.0 34 37 A K E -HI 25 256B 0 222,-2.0 222,-2.5 -2,-0.3 2,-0.9 -0.979 36.8-130.2-151.3 153.8 -1.8 -5.4 7.6 35 38 A E E - I 0 255B 80 -11,-0.6 220,-0.3 -2,-0.3 3,-0.2 -0.888 31.8-175.9 -91.9 94.9 1.5 -6.9 7.0 36 39 A N E + 0 0 1 218,-1.4 2,-0.3 -2,-0.9 219,-0.2 0.809 69.1 12.3 -65.8 -34.5 3.3 -3.5 6.7 37 40 A F E + I 0 254B 1 217,-1.7 217,-2.4 -3,-0.1 2,-0.4 -0.977 60.0 173.4-144.8 134.1 6.6 -5.1 5.7 38 41 A Q E > - I 0 253B 11 -2,-0.3 4,-2.5 215,-0.2 3,-0.3 -0.902 15.3-161.2-144.2 102.7 7.4 -8.7 4.7 39 42 A K H > S+ 0 0 29 213,-2.4 4,-2.1 -2,-0.4 -1,-0.1 0.903 87.6 52.5 -59.5 -44.0 11.0 -9.2 3.6 40 43 A E H 4 S+ 0 0 113 212,-0.3 -1,-0.2 1,-0.2 213,-0.1 0.863 117.4 37.8 -62.9 -36.4 10.5 -12.5 1.8 41 44 A K H > S+ 0 0 115 -3,-0.3 4,-0.6 2,-0.1 -1,-0.2 0.829 115.6 52.2 -83.0 -30.9 7.6 -11.1 -0.3 42 45 A M H <>S+ 0 0 2 -4,-2.5 5,-2.3 1,-0.2 3,-0.5 0.809 95.7 66.9 -84.3 -23.9 9.0 -7.6 -0.9 43 46 A L T ><5S+ 0 0 51 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.957 101.5 48.5 -57.7 -50.9 12.4 -8.7 -2.2 44 47 A P T 345S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.749 105.4 59.7 -63.8 -19.6 10.9 -10.2 -5.4 45 48 A L T 3<5S- 0 0 64 -4,-0.6 -2,-0.2 -3,-0.5 -3,-0.1 0.466 131.9 -90.6 -81.7 -5.4 8.8 -7.0 -5.9 46 49 A G T < 5S+ 0 0 40 -3,-1.9 -3,-0.2 -4,-0.4 -4,-0.1 0.375 72.6 151.5 113.2 -1.7 12.1 -5.0 -6.1 47 50 A F < - 0 0 5 -5,-2.3 -1,-0.3 1,-0.1 2,-0.2 -0.464 58.6-106.5 -56.3 124.7 12.7 -4.0 -2.5 48 51 A P > - 0 0 33 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.394 15.5-146.6 -72.3 132.6 16.6 -3.8 -2.7 49 52 A E G > S+ 0 0 109 1,-0.3 3,-1.9 -2,-0.2 4,-0.3 0.825 96.9 73.3 -55.4 -30.7 18.7 -6.5 -1.1 50 53 A S G > S+ 0 0 79 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.772 80.1 72.5 -60.4 -23.0 21.3 -3.7 -0.4 51 54 A F G < S+ 0 0 3 -3,-1.6 3,-0.3 1,-0.2 -1,-0.3 0.871 105.5 37.5 -55.2 -36.0 18.9 -2.4 2.3 52 55 A F G X S+ 0 0 31 -3,-1.9 3,-1.4 -4,-0.3 -1,-0.2 0.362 83.8 108.6 -96.4 1.3 20.0 -5.4 4.4 53 56 A A T < S+ 0 0 79 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.717 85.8 35.1 -60.5 -29.6 23.6 -5.6 3.5 54 57 A E T 3 S- 0 0 133 -3,-0.3 -1,-0.3 -4,-0.3 3,-0.1 0.387 104.1-119.8-104.8 -0.5 25.1 -4.4 6.9 55 58 A G < + 0 0 39 -3,-1.4 2,-0.4 1,-0.2 -2,-0.1 0.811 63.4 145.2 68.0 29.1 22.5 -6.0 9.2 56 59 A K + 0 0 52 -5,-0.3 2,-0.3 84,-0.2 -1,-0.2 -0.834 20.8 173.4-104.2 140.1 21.4 -2.6 10.6 57 60 A L + 0 0 12 -2,-0.4 177,-2.3 -3,-0.1 2,-0.3 -0.972 10.3 164.1-151.4 131.3 17.9 -1.8 11.5 58 61 A Q E -CD 139 233A 11 81,-1.8 81,-2.6 -2,-0.3 2,-0.5 -0.993 16.5-159.2-145.2 138.5 16.0 1.0 13.2 59 62 A N E -CD 138 232A 1 173,-2.6 173,-1.8 -2,-0.3 172,-1.4 -0.984 13.5-172.2-118.8 118.0 12.3 1.8 13.3 60 63 A N E -CD 137 230A 11 77,-2.1 77,-2.6 -2,-0.5 2,-0.4 -0.831 2.3-165.7-105.9 149.9 11.3 5.4 14.1 61 64 A V E -CD 136 229A 2 168,-2.6 168,-2.3 -2,-0.3 2,-0.4 -0.999 4.8-172.8-134.0 132.8 7.8 6.6 14.8 62 65 A S E -CD 135 228A 15 73,-2.5 73,-3.1 -2,-0.4 2,-0.5 -0.990 10.7-155.7-123.3 142.8 6.4 10.1 14.9 63 66 A F E +CD 134 227A 24 164,-2.7 164,-2.0 -2,-0.4 2,-0.3 -0.958 27.7 171.7-115.5 118.3 3.0 11.1 16.0 64 67 A S E -C 133 0A 9 69,-2.1 69,-1.9 -2,-0.5 2,-0.2 -0.933 25.1-124.3-137.8 153.3 1.9 14.4 14.5 65 68 A R E > -C 132 0A 91 160,-0.4 3,-2.0 -2,-0.3 63,-0.3 -0.496 47.8 -64.4 -98.4 163.2 -1.1 16.6 14.1 66 69 A K T 3 S+ 0 0 107 65,-2.2 63,-0.2 1,-0.2 -1,-0.2 -0.077 117.7 15.3 -45.3 135.6 -2.9 18.1 11.1 67 70 A N T 3 S+ 0 0 23 61,-2.5 105,-2.0 1,-0.3 -1,-0.2 0.187 82.1 141.4 78.9 -8.6 -0.9 20.7 9.1 68 71 A V B < -o 172 0C 3 -3,-2.0 60,-2.7 103,-0.2 2,-0.4 -0.399 33.9-164.7 -56.1 133.6 2.5 19.7 10.6 69 72 A L E -P 127 0D 0 103,-2.4 105,-0.4 58,-0.2 2,-0.4 -0.989 8.4-177.6-133.4 116.2 4.9 19.9 7.7 70 73 A R E -P 126 0D 81 56,-2.4 56,-2.3 -2,-0.4 2,-0.2 -0.930 27.5 -36.8-115.3 139.2 8.4 18.2 8.0 71 74 A G E - 0 0 1 -2,-0.4 85,-0.5 54,-0.2 54,-0.2 -0.739 13.2-141.1 134.0-175.5 11.2 18.2 5.5 72 75 A L E + 0 0 0 52,-0.4 82,-2.3 -2,-0.2 2,-0.5 0.362 56.4 151.2-104.8 119.0 12.8 18.2 3.0 73 76 A H E -PQ 124 153D 47 51,-2.4 51,-2.5 80,-0.2 2,-0.8 -0.941 32.0-164.9-118.2 125.7 15.6 16.0 4.4 74 77 A A E - Q 0 152D 2 78,-3.3 78,-1.9 -2,-0.5 49,-0.2 -0.866 24.0-169.1-102.4 91.9 18.0 13.6 2.6 75 78 A E - 0 0 38 -2,-0.8 2,-1.9 47,-0.3 46,-0.7 -0.489 35.0-103.2 -80.2 155.4 19.4 11.7 5.5 76 79 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.203 94.3 61.2 -83.2 51.2 22.4 9.4 4.8 77 80 A W S S- 0 0 21 -2,-1.9 44,-0.3 42,-0.1 2,-0.2 -0.961 86.7 -94.0-159.0 164.1 20.5 6.1 4.9 78 81 A D - 0 0 27 -2,-0.3 62,-1.0 42,-0.1 2,-0.4 -0.504 40.1-155.3 -81.2 157.2 17.7 4.3 3.0 79 82 A K E -EF 118 139A 13 39,-2.1 39,-3.1 60,-0.2 2,-0.5 -0.995 20.1-160.2-139.8 142.2 14.1 4.6 4.3 80 83 A Y E -EF 117 138A 0 58,-2.4 58,-2.3 -2,-0.4 2,-0.4 -0.982 27.1-160.4-118.6 114.2 10.9 2.6 4.1 81 84 A I E +EF 116 137A 0 35,-3.0 35,-2.1 -2,-0.5 2,-0.3 -0.822 19.6 152.5-106.8 135.7 8.0 4.9 5.0 82 85 A S E - 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